[1-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone

C20H20FN5O — CID 53006260

IUPAC[1-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cc(-c3cccnc3)n(-c3ccc(F)cc3)n2)CC1
InChIInChI=1S/C20H20FN5O/c1-24-9-11-25(12-10-24)20(27)18-13-19(15-3-2-8-22-14-15)26(23-18)17-6-4-16(21)5-7-17/h2-8,13-14H,9-12H2,1H3
InChIKeyZJVVDIAQXBEWDS-UHFFFAOYSA-N
MW365.41 g/mol
LogP2.46
Rot. Bonds3

About [1-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone

[1-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 53006260) has the molecular formula C20H20FN5O and a molecular weight of 365.41 g/mol. Its IUPAC name is [1-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID53006260
Molecular FormulaC20H20FN5O
Molecular Weight365.41 g/mol
Exact Mass365.17
IUPAC Name[1-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cc(-c3cccnc3)n(-c3ccc(F)cc3)n2)CC1
InChIInChI=1S/C20H20FN5O/c1-24-9-11-25(12-10-24)20(27)18-13-19(15-3-2-8-22-14-15)26(23-18)17-6-4-16(21)5-7-17/h2-8,13-14H,9-12H2,1H3
InChIKeyZJVVDIAQXBEWDS-UHFFFAOYSA-N
XLogP2.46
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [1-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone (CID 53006260) is [1-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [1-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2cc(-c3cccnc3)n(-c3ccc(F)cc3)n2)CC1.
What is the InChIKey of [1-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is ZJVVDIAQXBEWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O/c1-24-9-11-25(12-10-24)20(27)18-13-19(15-3-2-8-22-14-15)26(23-18)17-6-4-16(21)5-7-17/h2-8,13-14H,9-12H2,1H3.
What are the key properties of [1-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone?
[1-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 365.41 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 53006260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).